AG00C0NB

4277-29-6 | Cycloheptanecarbaldehyde

AG00C0NB

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CAS Number	4277-29-6
Catalog Number	AG00C0NB(AGN-PC-0WAKO4)
Chemical Name	Cycloheptanecarbaldehyde
EC Number	224-279-5
IUPAC Name	cycloheptanecarbaldehyde
InChI	InChI=1S/C8H14O/c9-7-8-5-3-1-2-4-6-8/h7-8H,1-6H2
InChI Key	UGBFRCHGZFHSBC-UHFFFAOYSA-N
MDL Number	MFCD03412495
Molecular Formula	C8H14O
Molecular Weight	126.1962
SMILES	O=CC1CCCCCC1
Synonyms	cycloheptanecarbaldehyde, 4277-29-6, cycloheptanecarboxaldehyde, Formylcycloheptane, CHEMBL277996, Aldehydes, 6, EINECS 224-279-5, cycloheptancarbaldehyd, PubChem16219, Cycloheptanecarboxal?dehyde, AC1L2U6Z, AC1Q6Q9D, SCHEMBL95620, CTK1D7851, DTXSID90195419, UGBFRCHGZFHSBC-UHFFFAOYSA-N, Cycloheptanecarbaldehyde, AldrichCPR, ZINC5189121, 5899AB, BDBM50028812, MFCD03412495, SBB059644, AKOS012322189, MCULE-2750232256, NE12445, AJ-53535, BS-13128, SC-59538, DB-070339, TC-010712, FT-0693169, ST51044565, EN300-91418, A826005, C8H14O, C8-H14-O, CID77961,

Complexity	80.6
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	126.104g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	126.199g/mol
Monoisotopic Mass	126.104g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H226-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P210-P240-P241-P242-P243-P261-P264-P271-P280-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P370+P378-P403+P233-P403+P235-P405-P501
UN Code	UN 1993

Certificate of Analysis

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