AG00D81F

5558-04-3 | 1-Cyclopropyl-1-phenylethanol

AG00D81F

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CAS Number	5558-04-3
Catalog Number	AG00D81F(AGN-PC-0SJ9PJ)
Chemical Name	1-Cyclopropyl-1-phenylethanol
EC Number	226-923-0
IUPAC Name	1-cyclopropyl-1-phenylethanol
InChI	InChI=1S/C11H14O/c1-11(12,10-7-8-10)9-5-3-2-4-6-9/h2-6,10,12H,7-8H2,1H3
InChI Key	ODESSVLMCLJHHD-UHFFFAOYSA-N
MDL Number	MFCD00019243
Molecular Formula	C11H14O
Molecular Weight	162.2283
NSC Number	77105
SMILES	CC(C1CC1)(O)C2=CC=CC=C2
Synonyms	1-cyclopropyl-1-phenylethanol, 5558-04-3, 1-cyclopropyl-1-phenylethan-1-ol, Benzenemethanol, a-cyclopropyl-a-methyl-, alpha-Cyclopropyl-alpha-methylbenzyl alcohol, NSC77105, AC1L3ZT4, AC1Q76WC, Methylcyclopropylphenylcarbinol, 1-cyclopropyl-1-phenyl-ethanol, 1-Phenyl-1-cyclopropyl ethanol, SCHEMBL10306736, CTK5A3832, EINECS 226-923-0, MFCD00019243, NSC-77105, AKOS009159357, ACN-048605, MCULE-2595149578, VZ21402, AK-32592, DS-11802, SC-70305, TC-030517, 4CH-003611, FT-0080258, FT-0602732, ST24037964, ST50407849, CID98105, AR-1C2667, 5854-12-6,

Complexity	156
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	162.104g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	162.232g/mol
Monoisotopic Mass	162.104g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	20.2A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number