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Precocene I

Precocene I structure

CAS No:
17598-02-6
Formula:
C12H14O2
Chemical Name:
Precocene I
Synonyms:
2H-1-Benzopyran,7-methoxy-2,2-dimethyl-;7-Methoxy-2,2-dimethyl-2H-1-benzopyran;7-Methoxy-2,2-dimethylchromene;6-Demethoxyageratochromene;Demethoxyageratochromene;Precocene 1;Precocene I;NSC 318791
Categories:
Analytical Chemistry > Standard

Description

ChEBI: A member of the class of chromenes that is 2H-chromene substituted by a methoxy group at position 7 and two methyl groups at position 2.

Precocene I is a member of the class of chromenes that is 2H-chromene substituted by a methoxy group at position 7 and two methyl groups at position 2. It has a role as a member of precocenes and a plant metabolite. It is a member of chromenes and an aromatic ether.

Precocene I Basic Attributes

Molecular Weight：

190.24

Exact Mass：

190.24

EC Number：

241-566-0

UNII：

25HLF91DGR

NSC Number：

318791

DSSTox ID：

DTXSID2037261

HScode：

2909199090

Characteristics

PSA：

18.5

XLogP3：

2.87940

Density：

1.052 g/mL at 25 °C(lit.)

Melting Point：

46-47 °C

Boiling Point：

68 °C

Flash Point：

>230 °F

Refractive Index：

n 20/D 1.56(lit.)

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

22-51/53

safety instructions：

RTECS Number：

DJ2529000

Marks：

Xn,N

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

precocene I

Computed Properties

Molecular Weight:190.24
XLogP3:3.3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:190.099379685
Monoisotopic Mass:190.099379685
Topological Polar Surface Area:18.5
Heavy Atom Count:14
Complexity:233
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes