3-METHYLBUTYRIC ACID-1-13C
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3-METHYLBUTYRIC ACID-1-13C
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CAS No:
87994-84-1
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Formula:
C5H10O2
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Chemical Name:
3-METHYLBUTYRIC ACID-1-13C
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Synonyms:
3-METHYLBUTYRIC ACID-1-13C;ISOVALERIC-1-13C ACID;ISOVALERIC ACID-1-13C;ISOVALERIC-1-13C ACID, 99 ATOM % 13C
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CAS No:
Characteristics
37.3
1.11710
0.946 g/mL at 25ºC
−29 °C(lit.)
175-177 °C(lit.)
159 °F
n20/D 1.403(lit.)
Safety Information
UN 3265 8/PG 2
1
34
26-36/37/39-45
C
P280-P305 + P351 + P338-P310
H314
|Danger|H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:103.12
XLogP3:1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:103.071434393
Monoisotopic Mass:103.071434393
Topological Polar Surface Area:37.3
Heavy Atom Count:7
Complexity:66.5
Isotope Atom Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Latest News on 3-METHYLBUTYRIC ACID-1-13C
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